#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgu h PRO 11 N 0.00 0.00 -3.27 0.00 0.11 -1.88 -3.43 132.00 123.53 3kgu h PRO 11 Ca 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 3kgu h PRO 11 Cb 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 30.76 3kgu h PRO 11 CO 0.00 0.10 -0.67 -1.17 -0.21 0.00 0.00 178.00 176.05 3kgu s LEU 12 N -6.89 0.40 0.01 2.35 2.96 -1.26 -0.40 118.68 115.85 3kgu s LEU 12 Ca -0.02 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3kgu s LEU 12 Cb 0.12 0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 3kgu s LEU 12 CO 0.56 -0.20 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.01 3kgu s MET 13 N 1.75 0.50 -0.09 1.98 -2.45 -0.22 -4.40 119.30 116.37 3kgu s MET 13 Ca -0.02 -0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.14 3kgu s MET 13 Cb -0.12 -0.44 -0.00 0.00 1.25 0.00 0.00 34.83 35.51 3kgu s MET 13 CO -0.05 0.12 -0.24 0.08 1.05 0.00 0.00 175.02 175.98 3kgu s VAL 14 N -0.38 2.02 -0.07 10.11 1.01 -1.00 -0.82 120.40 131.27 3kgu s VAL 14 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3kgu s VAL 14 Cb -0.04 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3kgu s VAL 14 CO -0.00 0.55 -0.15 -0.75 0.00 0.00 0.00 175.10 174.75 3kgu s LYS 15 N 0.24 2.06 -0.07 2.72 2.20 -0.11 -0.15 119.74 126.62 3kgu s LYS 15 Ca -0.15 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 3kgu s LYS 15 Cb -0.17 -1.64 0.01 0.00 -1.51 0.00 0.00 37.83 34.52 3kgu s LYS 15 CO 0.08 0.07 -0.16 0.08 -0.36 0.00 0.00 175.35 175.06 3kgu s VAL 16 N 0.57 1.40 0.11 4.02 1.01 -0.24 -0.81 120.40 126.46 3kgu s VAL 16 Ca -0.16 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.29 3kgu s VAL 16 Cb -0.16 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3kgu s VAL 16 CO 0.05 0.41 -0.26 -0.76 0.00 0.00 0.00 175.10 174.55 3kgu s LEU 17 N 0.52 2.33 -0.32 3.92 2.01 0.10 -1.34 118.68 125.91 3kgu s LEU 17 Ca -0.15 -0.70 -0.09 0.00 0.01 0.00 0.00 54.13 53.20 3kgu s LEU 17 Cb -0.16 -1.27 -0.00 0.00 0.01 0.00 0.00 46.19 44.77 3kgu s LEU 17 CO 0.05 0.20 0.15 -0.62 1.01 0.00 0.00 176.35 177.14 3kgu s ASP 18 N -1.89 5.51 0.00 2.29 -1.08 0.12 -0.97 116.67 120.64 3kgu s ASP 18 Ca 0.14 -0.61 0.29 0.00 -0.52 0.00 0.00 52.55 51.84 3kgu s ASP 18 Cb -0.10 -1.99 1.18 0.00 -1.46 0.00 0.00 42.92 40.55 3kgu s ASP 18 CO 0.06 -0.22 1.86 0.00 0.52 0.00 0.00 175.17 177.39 3kgu n ALA 19 N 4.97 2.63 -0.06 3.66 0.00 -0.37 -1.57 120.51 129.77 3kgu n ALA 19 Ca -0.14 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 3kgu n ALA 19 Cb 0.49 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 3kgu n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kgu n VAL 20 N -1.35 1.64 0.46 0.00 0.31 -1.26 -4.44 118.33 113.69 3kgu n VAL 20 Ca 0.10 -0.29 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 3kgu n VAL 20 Cb 0.31 -1.92 0.08 0.00 -0.91 0.00 0.00 33.84 31.40 3kgu n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kgu n ARG 21 N -4.05 0.37 -3.22 5.55 1.74 -1.25 -4.99 116.66 110.82 3kgu n ARG 21 Ca -0.32 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.67 3kgu n ARG 21 Cb 0.83 -1.68 0.08 0.00 -1.02 0.00 0.00 32.46 30.67 3kgu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kgu n GLY 22 N 1.31 -0.35 3.26 -0.13 0.00 -0.61 -5.04 105.19 103.63 3kgu n GLY 22 Ca 0.02 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3kgu n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kgu s SER 23 N -4.07 0.14 0.69 1.61 1.04 -1.08 -5.02 113.70 107.01 3kgu s SER 23 Ca 0.06 -0.95 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 3kgu s SER 23 Cb -0.01 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.50 3kgu s SER 23 CO 0.64 -0.82 1.27 -2.16 0.98 0.00 0.00 173.24 173.15 3kgu s PRO 24 N -3.98 2.32 -0.48 4.02 0.04 -1.26 -0.70 135.00 134.96 3kgu s PRO 24 Ca 0.18 1.98 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 3kgu s PRO 24 Cb 0.05 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.81 3kgu s PRO 24 CO -0.01 -1.75 0.53 0.00 0.04 0.00 0.00 177.00 175.81 3kgu s ALA 25 N -1.60 3.44 0.11 8.56 0.00 -0.45 -4.57 121.76 127.25 3kgu s ALA 25 Ca 0.80 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 3kgu s ALA 25 Cb -0.35 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3kgu s ALA 25 CO 0.42 -1.85 0.39 0.42 0.00 0.00 0.00 175.76 175.14 3kgu s ILE 26 N 2.27 5.13 -1.58 0.00 1.01 -1.26 -4.33 121.20 122.44 3kgu s ILE 26 Ca 0.12 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 3kgu s ILE 26 Cb -0.20 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3kgu s ILE 26 CO 0.11 0.17 0.28 -3.20 0.00 0.00 0.00 174.94 172.30 3kgu n ASN 27 N 0.51 -5.78 -4.71 3.58 5.15 -0.71 -4.94 115.26 108.37 3kgu n ASN 27 Ca -0.05 -0.14 -0.40 0.00 -0.60 0.00 0.00 54.58 53.38 3kgu n ASN 27 Cb 0.52 -4.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.02 3kgu n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kgu s VAL 28 N -3.07 5.01 0.15 3.44 1.01 -1.26 -4.73 120.40 120.96 3kgu s VAL 28 Ca 0.14 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 3kgu s VAL 28 Cb -0.06 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3kgu s VAL 28 CO 0.17 0.21 1.14 0.00 0.00 0.00 0.00 175.10 176.62 3kgu s ALA 29 N 1.05 3.39 -0.07 5.51 0.00 -1.26 -1.28 121.76 129.10 3kgu s ALA 29 Ca 0.38 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3kgu s ALA 29 Cb -0.18 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3kgu s ALA 29 CO 0.18 -0.30 -0.06 0.08 0.00 0.00 0.00 175.76 175.67 3kgu s VAL 30 N 0.08 0.74 -0.09 0.00 1.01 -0.18 -0.74 120.40 121.22 3kgu s VAL 30 Ca 0.52 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.37 3kgu s VAL 30 Cb -0.30 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 3kgu s VAL 30 CO 0.34 0.30 -0.24 -1.00 0.00 0.00 0.00 175.10 174.50 3kgu s HIS 31 N 1.34 2.54 -0.10 5.22 3.76 -0.43 -1.54 115.29 126.08 3kgu s HIS 31 Ca -0.04 -0.98 0.01 0.00 -0.15 0.00 0.00 55.06 53.91 3kgu s HIS 31 Cb -0.14 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 3kgu s HIS 31 CO -0.03 -0.38 -0.13 0.08 -0.85 0.00 0.00 174.74 173.43 3kgu s VAL 32 N 0.24 3.10 0.14 -0.90 1.01 0.17 -0.54 120.40 123.61 3kgu s VAL 32 Ca -0.16 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3kgu s VAL 32 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3kgu s VAL 32 CO 0.08 0.55 -0.16 -0.36 0.00 0.00 0.00 175.10 175.21 3kgu s PHE 33 N -0.10 1.62 -0.03 5.22 0.40 0.26 -0.40 117.98 124.96 3kgu s PHE 33 Ca -0.01 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.84 3kgu s PHE 33 Cb -0.14 -0.83 -0.00 0.00 0.51 0.00 0.00 43.02 42.56 3kgu s PHE 33 CO 0.04 0.24 -0.13 0.50 0.70 0.00 0.00 175.22 176.56 3kgu s ARG 34 N -2.69 1.26 -0.05 0.44 3.52 0.34 -0.41 118.95 121.35 3kgu s ARG 34 Ca 0.12 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 3kgu s ARG 34 Cb -0.06 -1.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.15 3kgu s ARG 34 CO 0.05 0.21 1.26 0.21 -0.81 0.00 0.00 175.30 176.22 3kgu s LYS 35 N -0.02 4.32 0.84 5.12 2.20 -0.31 -0.76 119.74 131.12 3kgu s LYS 35 Ca -0.01 1.75 -0.11 0.00 -0.36 0.00 0.00 55.97 57.24 3kgu s LYS 35 Cb -0.08 -3.59 0.13 0.00 -1.51 0.00 0.00 37.83 32.78 3kgu s LYS 35 CO 0.01 -0.51 1.18 0.00 -0.36 0.00 0.00 175.35 175.66 3kgu s ALA 36 N 2.42 2.73 0.40 3.13 0.00 0.06 -4.73 121.76 125.78 3kgu s ALA 36 Ca 0.58 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.55 3kgu s ALA 36 Cb -0.26 -2.68 0.85 0.00 0.00 0.00 0.00 23.12 21.02 3kgu s ALA 36 CO 0.22 -1.88 1.98 0.00 0.00 0.00 0.00 175.76 176.08 3kgu h ALA 37 N -1.13 1.61 -0.12 0.00 0.00 -1.96 -1.92 119.26 115.73 3kgu h ALA 37 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3kgu h ALA 37 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kgu h ALA 37 CO 0.50 0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 3kgu n ASP 38 N -4.36 0.93 -0.40 0.00 5.75 -1.26 -4.90 116.55 112.31 3kgu n ASP 38 Ca 0.00 -2.03 -0.05 0.00 -0.01 0.00 0.00 54.79 52.70 3kgu n ASP 38 Cb 0.19 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 3kgu n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kgu n ASP 39 N -0.07 -4.33 -4.94 -1.12 8.00 -0.72 -5.03 116.55 108.34 3kgu n ASP 39 Ca 0.04 0.13 -0.25 0.00 0.71 0.00 0.00 54.79 55.42 3kgu n ASP 39 Cb 0.17 -2.29 -0.02 0.00 -0.02 0.00 0.00 41.12 38.97 3kgu n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kgu s THR 40 N -1.95 5.15 -0.21 -3.53 -4.23 -1.26 -4.85 115.64 104.76 3kgu s THR 40 Ca 0.00 -0.45 -0.24 0.00 -1.18 0.00 0.00 61.69 59.81 3kgu s THR 40 Cb 0.00 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 3kgu s THR 40 CO 0.00 -0.39 0.80 0.26 -0.54 0.00 0.00 174.62 174.75 3kgu s TRP 41 N -2.12 3.36 -0.11 3.99 0.52 -1.26 -0.76 118.94 122.56 3kgu s TRP 41 Ca 0.39 1.15 -0.04 0.00 0.02 0.00 0.00 56.10 57.61 3kgu s TRP 41 Cb -0.10 -3.00 -0.04 0.00 -1.15 0.00 0.00 33.47 29.19 3kgu s TRP 41 CO 0.32 -0.30 0.05 -1.21 0.02 0.00 0.00 176.95 175.83 3kgu s GLU 42 N 2.43 3.29 0.17 4.98 2.02 0.06 -4.90 118.70 126.75 3kgu s GLU 42 Ca 0.35 -0.32 -0.34 0.00 0.02 0.00 0.00 54.97 54.68 3kgu s GLU 42 Cb -0.16 -2.97 -0.14 0.00 0.10 0.00 0.00 34.13 30.96 3kgu s GLU 42 CO 0.10 0.64 1.60 -2.30 0.02 0.00 0.00 175.26 175.32 3kgu n PRO 43 N 2.36 2.25 -0.02 0.39 -0.02 -1.26 -0.50 135.00 138.20 3kgu n PRO 43 Ca -0.19 0.81 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 3kgu n PRO 43 Cb 0.54 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 3kgu n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kgu n PHE 44 N 3.48 0.00 -3.49 6.00 7.35 0.47 -4.82 117.46 126.45 3kgu n PHE 44 Ca 0.17 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.75 3kgu n PHE 44 Cb 0.30 -0.22 -0.02 0.00 0.35 0.00 0.00 39.48 39.89 3kgu n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kgu s ALA 45 N -2.18 -1.60 0.16 3.13 0.00 -0.90 -5.01 121.76 115.36 3kgu s ALA 45 Ca -0.10 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 3kgu s ALA 45 Cb 0.03 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3kgu s ALA 45 CO 0.13 -0.79 0.44 -1.54 0.00 0.00 0.00 175.76 174.00 3kgu s SER 46 N -2.73 -0.21 -0.01 0.00 1.04 -1.26 0.44 113.70 110.98 3kgu s SER 46 Ca 0.03 -0.47 -0.10 0.00 0.48 0.00 0.00 55.95 55.89 3kgu s SER 46 Cb -0.02 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3kgu s SER 46 CO -0.10 -0.95 0.46 0.61 0.98 0.00 0.00 173.24 174.24 3kgu n GLY 47 N -0.28 0.50 3.27 7.32 0.00 -0.59 -4.99 105.19 110.43 3kgu n GLY 47 Ca -0.12 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 3kgu n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgu s LYS 48 N -2.01 1.70 0.51 1.61 -0.14 -1.26 -1.01 119.74 119.15 3kgu s LYS 48 Ca 0.11 -0.91 -0.21 0.00 -1.36 0.00 0.00 55.97 53.60 3kgu s LYS 48 Cb -0.00 -1.74 -0.06 0.00 -1.68 0.00 0.00 37.83 34.35 3kgu s LYS 48 CO -0.00 0.46 1.18 0.95 -0.76 0.00 0.00 175.35 177.18 3kgu s THR 49 N -0.66 2.93 0.02 2.17 -4.23 -0.40 -4.73 115.64 110.74 3kgu s THR 49 Ca 0.09 0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 61.25 3kgu s THR 49 Cb -0.09 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3kgu s THR 49 CO 0.00 -0.06 0.03 -1.54 -0.54 0.00 0.00 174.62 172.51 3kgu n SER 50 N -0.93 0.01 0.20 3.99 3.41 0.10 -1.73 113.62 118.67 3kgu n SER 50 Ca 0.10 -1.02 0.14 0.00 -0.26 0.00 0.00 58.87 57.83 3kgu n SER 50 Cb 0.49 -0.02 0.74 0.00 -0.26 0.00 0.00 64.21 65.16 3kgu n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kgu h GLU 51 N 0.00 0.00 -0.09 4.33 5.08 -1.95 -1.02 114.58 120.94 3kgu h GLU 51 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kgu h GLU 51 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kgu h GLU 51 CO 0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3kgu n SER 52 N -4.21 1.65 -0.08 1.42 3.41 -1.26 -4.81 113.62 109.75 3kgu n SER 52 Ca 0.01 -1.61 -0.01 0.00 -0.26 0.00 0.00 58.87 56.99 3kgu n SER 52 Cb 0.25 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3kgu n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kgu n GLY 53 N 1.17 0.48 3.75 5.00 0.00 -0.39 -4.77 105.19 110.43 3kgu n GLY 53 Ca 0.18 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3kgu n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgu s GLU 54 N -0.90 2.88 -0.24 1.61 2.02 -1.26 -1.08 118.70 121.73 3kgu s GLU 54 Ca 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.37 3kgu s GLU 54 Cb 0.00 -2.74 0.06 0.00 0.10 0.00 0.00 34.13 31.56 3kgu s GLU 54 CO 0.00 0.60 -0.05 -1.17 0.02 0.00 0.00 175.26 174.66 3kgu s LEU 55 N -2.00 2.66 0.27 1.80 2.96 0.79 -0.73 118.68 124.44 3kgu s LEU 55 Ca 0.25 -1.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.03 3kgu s LEU 55 Cb -0.12 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3kgu s LEU 55 CO 0.17 -0.24 0.11 -1.00 -1.32 0.00 0.00 176.35 174.07 3kgu s HIS 56 N 1.37 2.87 -0.37 5.38 3.76 -1.26 -2.36 115.29 124.68 3kgu s HIS 56 Ca -0.06 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 3kgu s HIS 56 Cb -0.19 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.15 3kgu s HIS 56 CO -0.06 0.53 0.00 0.41 -0.85 0.00 0.00 174.74 174.76 3kgu n GLY 57 N -1.06 0.61 0.33 -2.22 0.00 -1.26 -4.94 105.19 96.64 3kgu n GLY 57 Ca -0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 3kgu n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kgu h LEU 58 N 0.00 0.94 0.00 0.99 3.38 -1.85 -3.47 115.31 115.29 3kgu h LEU 58 Ca -0.07 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 3kgu h LEU 58 Cb 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kgu h LEU 58 CO 0.11 0.81 -0.04 1.07 0.09 0.00 0.00 178.44 180.48 3kgu n THR 59 N -4.31 0.00 -4.35 0.22 5.66 -1.26 -4.81 114.28 105.42 3kgu n THR 59 Ca 0.07 -1.00 -0.18 0.00 -3.05 0.00 0.00 64.05 59.89 3kgu n THR 59 Cb 0.15 0.66 -0.10 0.00 -1.55 0.00 0.00 70.33 69.49 3kgu n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kgu s THR 60 N -2.63 1.24 0.38 1.09 -4.23 -1.26 -4.63 115.64 105.60 3kgu s THR 60 Ca 0.16 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3kgu s THR 60 Cb -0.01 -2.34 0.30 0.00 1.34 0.00 0.00 72.50 71.79 3kgu s THR 60 CO 0.12 -0.35 1.97 -0.33 -0.54 0.00 0.00 174.62 175.49 3kgu h GLU 61 N 2.43 0.67 -0.46 3.99 5.08 -1.99 -0.80 114.58 123.50 3kgu h GLU 61 Ca -0.39 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 3kgu h GLU 61 Cb 1.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3kgu h GLU 61 CO 0.65 0.44 -0.14 0.93 -1.00 0.00 0.00 179.01 179.90 3kgu h GLU 62 N 0.69 0.91 0.09 2.33 3.07 -2.04 -3.32 114.58 116.32 3kgu h GLU 62 Ca 0.29 -0.36 -0.28 0.00 -0.50 0.00 0.00 59.36 58.52 3kgu h GLU 62 Cb 0.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3kgu h GLU 62 CO -0.09 1.02 -1.34 1.49 -1.40 0.00 0.00 179.01 178.68 3kgu h GLU 63 N 0.76 0.20 -3.84 2.33 4.81 -1.87 -3.40 114.58 113.56 3kgu h GLU 63 Ca 0.11 -0.34 -0.72 0.00 -0.13 0.00 0.00 59.36 58.28 3kgu h GLU 63 Cb 0.70 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 3kgu h GLU 63 CO 0.05 1.09 2.81 0.34 -0.73 0.00 0.00 179.01 182.57 3kgu n PHE 64 N -3.44 3.35 -1.80 0.92 7.35 -0.34 -4.96 117.46 118.54 3kgu n PHE 64 Ca -0.10 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.37 3kgu n PHE 64 Cb 1.02 -2.37 0.19 0.00 0.35 0.00 0.00 39.48 38.67 3kgu n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3kgu s VAL 65 N 2.34 1.94 0.47 -2.13 -7.23 -1.26 -4.95 120.40 109.58 3kgu s VAL 65 Ca 0.45 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.39 3kgu s VAL 65 Cb 0.13 -2.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.06 3kgu s VAL 65 CO -0.06 0.00 1.11 -0.62 -0.31 0.00 0.00 175.10 175.22 3kgu n GLU 66 N -3.92 1.46 -3.87 4.82 1.02 -1.26 -4.82 120.64 114.08 3kgu n GLU 66 Ca 0.15 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3kgu n GLU 66 Cb 0.59 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3kgu n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgu n GLY 67 N 1.05 -2.19 3.61 0.62 0.00 -1.16 -5.01 105.19 102.11 3kgu n GLY 67 Ca 0.10 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3kgu n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgu s ILE 68 N -2.39 4.95 0.14 -0.61 1.01 -1.26 -1.17 121.20 121.86 3kgu s ILE 68 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.77 3kgu s ILE 68 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3kgu s ILE 68 CO 0.00 0.39 -0.16 -0.31 0.00 0.00 0.00 174.94 174.86 3kgu s TYR 69 N 0.90 2.55 -0.12 3.97 1.51 0.05 -1.16 117.35 125.05 3kgu s TYR 69 Ca 0.05 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 3kgu s TYR 69 Cb -0.13 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 3kgu s TYR 69 CO 0.03 0.43 -0.14 0.21 -1.11 0.00 0.00 175.55 174.97 3kgu s LYS 70 N -2.36 2.12 -0.29 -0.62 2.20 0.45 -1.61 119.74 119.62 3kgu s LYS 70 Ca 0.20 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 55.22 3kgu s LYS 70 Cb -0.10 -1.88 -0.00 0.00 -1.51 0.00 0.00 37.83 34.34 3kgu s LYS 70 CO 0.12 -0.14 0.10 0.08 -0.36 0.00 0.00 175.35 175.15 3kgu s VAL 71 N 1.22 4.23 -0.26 4.02 1.01 0.36 -0.57 120.40 130.40 3kgu s VAL 71 Ca -0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3kgu s VAL 71 Cb -0.14 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3kgu s VAL 71 CO -0.05 0.12 0.00 -0.70 0.00 0.00 0.00 175.10 174.47 3kgu s GLU 72 N 1.56 3.01 -0.24 2.72 2.12 0.29 -0.61 118.70 127.55 3kgu s GLU 72 Ca 0.04 -0.88 -0.09 0.00 0.36 0.00 0.00 54.97 54.40 3kgu s GLU 72 Cb -0.17 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3kgu s GLU 72 CO 0.04 -0.39 0.12 0.42 -0.54 0.00 0.00 175.26 174.91 3kgu s ILE 73 N 1.42 4.92 -1.36 -3.70 1.01 0.81 -1.32 121.20 122.97 3kgu s ILE 73 Ca 0.02 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 3kgu s ILE 73 Cb -0.17 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.06 3kgu s ILE 73 CO -0.01 0.34 1.96 -0.67 0.00 0.00 0.00 174.94 176.55 3kgu n ASP 74 N 4.55 4.43 0.12 3.58 2.03 0.08 -1.41 116.55 129.93 3kgu n ASP 74 Ca -0.15 -2.88 -0.02 0.00 0.52 0.00 0.00 54.79 52.26 3kgu n ASP 74 Cb 0.52 -1.71 0.21 0.00 -0.72 0.00 0.00 41.12 39.42 3kgu n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3kgu h THR 75 N 4.88 1.35 0.15 5.18 1.35 -1.87 -3.18 112.91 120.77 3kgu h THR 75 Ca 0.50 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 3kgu h THR 75 Cb 0.77 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3kgu h THR 75 CO 1.65 0.50 -0.07 0.50 -0.25 0.00 0.00 175.52 177.85 3kgu h LYS 76 N 0.12 -0.19 -0.89 4.72 3.64 -1.75 -1.79 116.57 120.42 3kgu h LYS 76 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3kgu h LYS 76 Cb 0.92 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 3kgu h LYS 76 CO 0.07 -0.11 0.59 0.77 -2.27 0.00 0.00 179.45 178.50 3kgu h SER 77 N -0.22 0.98 0.24 4.20 0.02 -1.87 -1.36 113.55 115.54 3kgu h SER 77 Ca -0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3kgu h SER 77 Cb 0.17 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3kgu h SER 77 CO 0.03 0.69 -0.24 0.22 -1.14 0.00 0.00 176.83 176.39 3kgu h TYR 78 N 1.15 -0.64 -0.51 3.45 3.20 -1.48 -2.47 116.97 119.67 3kgu h TYR 78 Ca 0.35 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 3kgu h TYR 78 Cb -0.03 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3kgu h TYR 78 CO -0.00 -0.35 0.03 -1.49 -1.64 0.00 0.00 178.16 174.70 3kgu h TRP 79 N -0.51 0.90 -0.49 -3.82 4.06 -1.03 -3.10 115.95 111.95 3kgu h TRP 79 Ca -0.00 -0.12 -0.08 0.00 2.06 0.00 0.00 58.89 60.75 3kgu h TRP 79 Cb 0.48 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 3kgu h TRP 79 CO -0.16 0.81 -0.02 0.87 -3.56 0.00 0.00 178.44 176.37 3kgu h LYS 80 N 0.79 0.83 0.00 0.49 1.79 -1.08 -0.69 116.57 118.70 3kgu h LYS 80 Ca 0.16 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3kgu h LYS 80 Cb 0.44 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3kgu h LYS 80 CO 0.02 0.84 0.00 0.00 -1.08 0.00 0.00 179.45 179.23 3kgu h ALA 81 N 1.21 1.00 -0.16 3.86 0.00 -1.37 -1.87 119.26 121.92 3kgu h ALA 81 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kgu h ALA 81 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kgu h ALA 81 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3kgu n LEU 82 N -2.88 2.56 0.00 0.00 4.77 -0.76 -4.96 117.00 115.73 3kgu n LEU 82 Ca 0.01 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3kgu n LEU 82 Cb 0.28 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3kgu n LEU 82 CO 0.25 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3kgu n GLY 83 N 1.32 0.70 3.54 -0.72 0.00 -0.70 -5.06 105.19 104.27 3kgu n GLY 83 Ca 0.17 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kgu n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgu s ILE 84 N -2.00 3.83 -0.56 -0.61 1.01 -0.34 -4.99 121.20 117.53 3kgu s ILE 84 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 3kgu s ILE 84 Cb 0.00 -2.63 0.09 0.00 0.01 0.00 0.00 42.46 39.93 3kgu s ILE 84 CO 0.00 0.54 0.67 -0.55 0.00 0.00 0.00 174.94 175.60 3kgu s SER 85 N -0.13 6.19 0.70 3.58 0.15 -1.26 -2.79 113.70 120.14 3kgu s SER 85 Ca 0.02 -1.32 -0.07 0.00 0.70 0.00 0.00 55.95 55.29 3kgu s SER 85 Cb -0.13 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 3kgu s SER 85 CO 0.03 -1.03 1.02 -2.16 1.20 0.00 0.00 173.24 172.29 3kgu s PRO 86 N 2.59 2.25 -0.09 5.44 0.04 -1.26 -5.02 135.00 138.95 3kgu s PRO 86 Ca 0.12 -0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 3kgu s PRO 86 Cb -0.23 -2.16 -0.23 0.00 0.04 0.00 0.00 34.50 31.91 3kgu s PRO 86 CO 0.07 -1.21 0.96 0.35 0.04 0.00 0.00 177.00 177.22 3kgu h PHE 87 N -0.59 -0.00 -3.67 0.56 3.57 -1.63 -3.47 116.94 111.70 3kgu h PHE 87 Ca -0.45 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.55 3kgu h PHE 87 Cb 1.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 3kgu h PHE 87 CO 0.35 0.78 0.06 -1.01 -2.23 0.00 0.00 178.31 176.26 3kgu s HIS 88 N -3.04 3.39 0.16 0.41 3.76 -1.26 -4.99 115.29 113.72 3kgu s HIS 88 Ca -0.18 1.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.86 3kgu s HIS 88 Cb -0.01 -2.47 0.00 0.00 1.11 0.00 0.00 32.58 31.21 3kgu s HIS 88 CO 0.68 0.10 1.38 0.93 -0.85 0.00 0.00 174.74 176.98 3kgu h GLU 89 N 2.18 0.31 -2.43 1.40 4.39 -1.98 -3.38 114.58 115.07 3kgu h GLU 89 Ca -0.48 -0.31 0.17 0.00 0.34 0.00 0.00 59.36 59.08 3kgu h GLU 89 Cb 1.18 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.85 3kgu h GLU 89 CO 0.66 0.99 0.53 -3.38 -1.16 0.00 0.00 179.01 176.65 3kgu s HIS 90 N -3.36 -0.03 -0.19 4.33 -3.43 -1.26 -3.62 115.29 107.74 3kgu s HIS 90 Ca -0.04 -0.34 -0.04 0.00 -0.80 0.00 0.00 55.06 53.84 3kgu s HIS 90 Cb 0.10 0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 31.90 3kgu s HIS 90 CO 0.84 -0.89 -0.04 0.00 -2.00 0.00 0.00 174.74 172.65 3kgu s ALA 91 N -2.72 2.90 -0.12 -1.38 0.00 -0.50 -4.88 121.76 115.05 3kgu s ALA 91 Ca 0.17 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3kgu s ALA 91 Cb -0.02 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 3kgu s ALA 91 CO 0.04 -0.09 -0.19 -2.00 0.00 0.00 0.00 175.76 173.52 3kgu s GLU 92 N 0.90 3.18 -0.16 0.00 2.12 -1.26 -0.14 118.70 123.34 3kgu s GLU 92 Ca -0.00 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.55 3kgu s GLU 92 Cb -0.15 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.78 3kgu s GLU 92 CO 0.01 0.13 -0.21 0.08 -0.54 0.00 0.00 175.26 174.74 3kgu s VAL 93 N 0.50 2.04 -0.12 3.70 1.01 0.22 -4.98 120.40 122.76 3kgu s VAL 93 Ca -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3kgu s VAL 93 Cb -0.17 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kgu s VAL 93 CO 0.05 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 3kgu s VAL 94 N 1.03 1.75 0.01 2.92 1.01 -1.26 -0.49 120.40 125.38 3kgu s VAL 94 Ca -0.02 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3kgu s VAL 94 Cb -0.14 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kgu s VAL 94 CO -0.07 0.49 0.45 0.72 0.00 0.00 0.00 175.10 176.69 3kgu s PHE 95 N 0.86 -0.34 -0.06 5.22 -0.71 -0.63 -4.99 117.98 117.32 3kgu s PHE 95 Ca -0.08 0.44 -0.24 0.00 -1.04 0.00 0.00 56.93 56.00 3kgu s PHE 95 Cb -0.15 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 3kgu s PHE 95 CO -0.01 -0.55 0.74 0.99 -1.34 0.00 0.00 175.22 175.06 3kgu s THR 96 N -1.96 5.02 0.09 -4.49 2.01 -1.26 -0.77 115.64 114.27 3kgu s THR 96 Ca -0.08 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.53 3kgu s THR 96 Cb -0.02 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 3kgu s THR 96 CO 0.02 0.23 -0.17 0.00 -0.69 0.00 0.00 174.62 174.00 3kgu s ALA 97 N 0.91 2.70 -1.84 7.40 0.00 -0.32 -4.80 121.76 125.81 3kgu s ALA 97 Ca 0.39 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3kgu s ALA 97 Cb -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3kgu s ALA 97 CO 0.19 0.59 0.00 0.09 0.00 0.00 0.00 175.76 176.63 3kgu n ASN 98 N 1.01 -5.17 0.23 0.00 3.02 -1.26 -2.99 115.26 110.09 3kgu n ASN 98 Ca -0.15 0.43 0.15 0.00 -0.03 0.00 0.00 54.58 54.97 3kgu n ASN 98 Cb 0.52 -4.19 0.45 0.00 -0.61 0.00 0.00 39.78 35.95 3kgu n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3kgu h ASP 99 N 0.00 0.00 -0.39 6.41 2.03 -1.94 -2.19 116.42 120.35 3kgu h ASP 99 Ca -0.35 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.77 3kgu h ASP 99 Cb 1.16 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.55 3kgu h ASP 99 CO 0.52 0.00 -0.01 -1.20 -1.03 0.00 0.00 179.24 177.52 3kgu n SER 100 N -2.98 2.79 0.00 4.15 7.64 -1.26 -5.08 113.62 118.88 3kgu n SER 100 Ca 0.02 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.26 3kgu n SER 100 Cb 0.40 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 3kgu n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgu n GLY 101 N -1.03 2.35 3.72 0.23 0.00 -0.82 -5.04 105.19 104.60 3kgu n GLY 101 Ca 0.33 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 3kgu n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kgu n PRO 102 N 0.64 2.60 -4.34 1.61 -0.02 -1.26 -4.33 135.00 129.89 3kgu n PRO 102 Ca 0.00 0.93 -0.17 0.00 -2.02 0.00 0.00 63.50 62.24 3kgu n PRO 102 Cb 0.00 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 30.66 3kgu n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kgu s ARG 103 N 0.13 1.42 -0.19 -0.52 1.81 -1.26 -4.96 118.95 115.39 3kgu s ARG 103 Ca 0.69 -1.76 -0.05 0.00 -1.72 0.00 0.00 55.73 52.89 3kgu s ARG 103 Cb -0.53 -0.44 -0.03 0.00 -0.45 0.00 0.00 34.95 33.50 3kgu s ARG 103 CO 0.43 -0.23 0.01 1.03 -0.68 0.00 0.00 175.30 175.86 3kgu s ARG 104 N -3.97 3.72 -0.15 3.54 1.81 -0.60 -4.82 118.95 118.47 3kgu s ARG 104 Ca 0.35 -0.48 -0.01 0.00 -1.72 0.00 0.00 55.73 53.88 3kgu s ARG 104 Cb 0.08 -3.09 -0.01 0.00 -0.45 0.00 0.00 34.95 31.48 3kgu s ARG 104 CO 0.12 0.12 -0.13 0.71 -0.68 0.00 0.00 175.30 175.44 3kgu s TYR 105 N 0.74 2.82 -0.22 -0.53 1.51 0.47 -1.87 117.35 120.27 3kgu s TYR 105 Ca 0.01 -0.85 -0.04 0.00 -1.01 0.00 0.00 57.07 55.17 3kgu s TYR 105 Cb -0.14 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 3kgu s TYR 105 CO 0.02 -0.37 -0.03 0.99 -1.11 0.00 0.00 175.55 175.05 3kgu s THR 106 N 0.71 3.53 -0.35 -0.71 2.01 -0.04 -1.05 115.64 119.74 3kgu s THR 106 Ca -0.06 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 3kgu s THR 106 Cb -0.15 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.76 3kgu s THR 106 CO 0.02 0.41 0.19 -0.63 -0.69 0.00 0.00 174.62 173.92 3kgu s ILE 107 N 1.45 4.65 -0.10 1.82 -1.09 -0.00 -0.88 121.20 127.05 3kgu s ILE 107 Ca 0.05 -0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 3kgu s ILE 107 Cb -0.14 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3kgu s ILE 107 CO -0.02 -0.12 -0.01 0.00 -1.23 0.00 0.00 174.94 173.56 3kgu s ALA 108 N 1.59 3.19 -0.04 9.38 0.00 -0.38 -0.94 121.76 134.56 3kgu s ALA 108 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3kgu s ALA 108 Cb -0.18 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3kgu s ALA 108 CO 0.07 0.49 -0.14 0.00 0.00 0.00 0.00 175.76 176.19 3kgu s ALA 109 N -0.57 1.28 -0.19 0.00 0.00 0.01 -1.11 121.76 121.17 3kgu s ALA 109 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3kgu s ALA 109 Cb -0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3kgu s ALA 109 CO 0.02 0.20 -0.09 -1.17 0.00 0.00 0.00 175.76 174.72 3kgu s LEU 110 N 0.25 2.74 -0.12 0.00 2.96 -0.26 -0.72 118.68 123.54 3kgu s LEU 110 Ca -0.07 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3kgu s LEU 110 Cb -0.12 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 3kgu s LEU 110 CO 0.02 0.03 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.24 3kgu s LEU 111 N 1.19 3.06 0.14 -0.68 1.43 -0.15 -1.66 118.68 122.00 3kgu s LEU 111 Ca 0.02 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3kgu s LEU 111 Cb -0.14 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3kgu s LEU 111 CO -0.03 0.24 -0.09 -0.44 0.23 0.00 0.00 176.35 176.26 3kgu s SER 112 N -0.07 1.65 0.34 2.29 0.01 0.35 -1.24 113.70 117.03 3kgu s SER 112 Ca -0.00 -1.01 0.07 0.00 1.31 0.00 0.00 55.95 56.32 3kgu s SER 112 Cb -0.13 0.01 0.75 0.00 0.21 0.00 0.00 66.02 66.86 3kgu s SER 112 CO 0.03 -0.36 1.87 -0.65 0.41 0.00 0.00 173.24 174.54 3kgu h PRO 113 N 2.83 0.75 -0.19 12.44 0.11 -1.99 -2.75 132.00 143.19 3kgu h PRO 113 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kgu h PRO 113 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3kgu h PRO 113 CO 0.64 0.50 0.00 0.66 -0.21 0.00 0.00 178.00 179.58 3kgu n TYR 114 N -4.57 0.47 -3.52 0.65 4.02 -1.26 -1.51 117.16 111.43 3kgu n TYR 114 Ca 0.17 -0.74 -0.18 0.00 -0.01 0.00 0.00 57.90 57.15 3kgu n TYR 114 Cb 0.43 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.53 3kgu n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3kgu s SER 115 N -1.71 -0.65 0.04 7.72 0.15 -1.04 -4.95 113.70 113.25 3kgu s SER 115 Ca 0.28 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.53 3kgu s SER 115 Cb 0.21 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 65.10 3kgu s SER 115 CO 0.08 -0.59 0.29 -0.72 1.20 0.00 0.00 173.24 173.50 3kgu s TYR 116 N -1.15 -0.09 0.13 3.44 -0.85 -1.26 -0.49 117.35 117.08 3kgu s TYR 116 Ca -0.10 -0.04 0.09 0.00 -0.52 0.00 0.00 57.07 56.50 3kgu s TYR 116 Cb -0.00 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 3kgu s TYR 116 CO 0.10 -0.49 -0.22 -1.54 -1.52 0.00 0.00 175.55 171.88 3kgu s SER 117 N -2.00 2.84 -0.00 -0.18 1.04 -0.66 -4.99 113.70 109.74 3kgu s SER 117 Ca -0.06 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.62 3kgu s SER 117 Cb -0.01 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 3kgu s SER 117 CO -0.03 0.07 -0.04 0.28 0.98 0.00 0.00 173.24 174.50 3kgu s THR 118 N -1.43 0.28 0.06 2.02 -1.32 -1.26 -1.10 115.64 112.89 3kgu s THR 118 Ca 0.12 -0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 3kgu s THR 118 Cb -0.09 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.62 3kgu s THR 118 CO 0.06 0.05 -0.06 0.28 -2.21 0.00 0.00 174.62 172.74 3kgu s THR 119 N -0.16 0.44 -0.09 5.08 -1.32 -0.27 -5.00 115.64 114.32 3kgu s THR 119 Ca 0.00 -1.44 0.04 0.00 -1.21 0.00 0.00 61.69 59.08 3kgu s THR 119 Cb -0.02 -1.04 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 3kgu s THR 119 CO -0.00 -0.67 -0.20 0.00 -2.21 0.00 0.00 174.62 171.53 3kgu s ALA 120 N -2.56 2.35 -0.25 11.08 0.00 -1.26 -1.25 121.76 129.87 3kgu s ALA 120 Ca -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3kgu s ALA 120 Cb -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.22 3kgu s ALA 120 CO -0.03 0.36 -0.01 0.08 0.00 0.00 0.00 175.76 176.15 3kgu s VAL 121 N 0.01 3.42 -0.17 0.00 1.01 -0.05 -4.99 120.40 119.62 3kgu s VAL 121 Ca -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3kgu s VAL 121 Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3kgu s VAL 121 CO 0.05 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 174.54 3kgu s VAL 122 N 1.45 2.03 0.29 2.92 1.01 -1.26 -0.86 120.40 125.98 3kgu s VAL 122 Ca 0.04 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3kgu s VAL 122 Cb -0.16 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3kgu s VAL 122 CO -0.02 0.54 0.10 0.42 0.00 0.00 0.00 175.10 176.13 3kgu s THR 123 N 1.23 0.67 0.00 3.92 -4.23 -0.78 -4.98 115.64 111.47 3kgu s THR 123 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3kgu s THR 123 Cb -0.13 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3kgu s THR 123 CO -0.11 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.77